Geometry & MOs

Info

ID:	328212
PubChem CID:	126697670
Reduced:	O4C17H34 (1)
Stoich.:	A4B17C34 (1)
Weight, g/mol:	438.06378
ΔH_f, kcal/mol:	-262.09
Dipole, Da:	5.16
IP(EA), eV:	-10.73(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[[(Z)-3-bromo-4-[(3-methoxy-3-oxopropyl)amino]-4-oxobut-2-enoyl]amino]ethoxy]ethoxy]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(CC(=O)O)C(C)C(O)O

DOS

IR

Vibrations